N'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide

C22H25FN2O3 — CID 36855400

IUPACN'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)C2(c3cccc(F)c3)CCCC2)c1
InChIInChI=1S/C22H25FN2O3/c1-15-10-16(2)12-19(11-15)28-14-20(26)24-25-21(27)22(8-3-4-9-22)17-6-5-7-18(23)13-17/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWXHFPXJECVEATB-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.48
Rot. Bonds5

About N'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide

N'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide (PubChem CID 36855400) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide
PubChem CID36855400
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)C2(c3cccc(F)c3)CCCC2)c1
InChIInChI=1S/C22H25FN2O3/c1-15-10-16(2)12-19(11-15)28-14-20(26)24-25-21(27)22(8-3-4-9-22)17-6-5-7-18(23)13-17/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyWXHFPXJECVEATB-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,5-dimethylphenoxy)acetyl]-1-(4-fluorophenyl)cyclopentane-1-carbohydrazide
CID 55333177
1-(3-fluorophenyl)-N'-(5-methoxy-2-pyridinyl)cyclobutane-1-carbohydrazide
CID 91650350
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 26656621
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 2445225
N-(3-fluorophenyl)-2-(3-hydroxy-5-methylphenoxy)acetamide
CID 107679675
N-(2-ethoxyethyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 60557792
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
N-[3-(difluoromethoxy)phenyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 55742350
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
1-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 31935022
N,N-diethyl-4-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]benzamide
CID 26899763

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide (CID 36855400) is N'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide is Cc1cc(C)cc(OCC(=O)NNC(=O)C2(c3cccc(F)c3)CCCC2)c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide?
The InChIKey is WXHFPXJECVEATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-15-10-16(2)12-19(11-15)28-14-20(26)24-25-21(27)22(8-3-4-9-22)17-6-5-7-18(23)13-17/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide?
N'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide has a molecular weight of 384.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylphenoxy)acetyl]-1-(3-fluorophenyl)cyclopentane-1-carbohydrazide is sourced from PubChem (CID 36855400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).